HRID91717

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID589833

2-Chloro-3-(trifluoromethyl)pyridine

C6H3ClF3N

结构：FC(F)(F)c1ccc(-c2nc(C3=CCNCC3)[nH]c2-c2ccc(C(F)(F)F)cc2)cc1

HCID58625818

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)c1ccc(-c2nc(C3=CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2-c2ccc(C(F)(F)F)cc2)cc1

HCID11664273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f514ef74181425390f7117c1860cdf4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Cl:32][c:33]1[n:34][cH:35][cH:36][cH:37][c:38]1[C:39]([F:40])([F:41])[F:42].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][c:11]([C:24]3=[CH:29][CH2:28][NH:27][CH2:26][CH2:25]3)[nH:12][c:13]2-[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[cH:7][cH:8]1)([F:30])[F:31]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][c:11]([C:24]3=[CH:29][CH2:28][N:27]([c:33]4[n:34][cH:35][cH:36][cH:37][c:38]4[C:39]([F:40])([F:41])[F:42])[CH2:26][CH2:25]3)[nH:12][c:13]2-[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[cH:7][cH:8]1)([F:30])[F:31]